5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide

C20H16BrClN2O2 — CID 60534175

IUPAC5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OCc2ccccn2)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C20H16BrClN2O2/c21-15-6-9-19(22)18(11-15)20(25)24-12-14-4-7-17(8-5-14)26-13-16-3-1-2-10-23-16/h1-11H,12-13H2,(H,24,25)
InChIKeyDGMNWRMZUMZVCY-UHFFFAOYSA-N
MW431.72 g/mol
LogP5.01
Rot. Bonds6

About 5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide

5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide (PubChem CID 60534175) has the molecular formula C20H16BrClN2O2 and a molecular weight of 431.72 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
PubChem CID60534175
Molecular FormulaC20H16BrClN2O2
Molecular Weight431.72 g/mol
Exact Mass430.01
IUPAC Name5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OCc2ccccn2)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C20H16BrClN2O2/c21-15-6-9-19(22)18(11-15)20(25)24-12-14-4-7-17(8-5-14)26-13-16-3-1-2-10-23-16/h1-11H,12-13H2,(H,24,25)
InChIKeyDGMNWRMZUMZVCY-UHFFFAOYSA-N
XLogP5.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.72
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide
CID 10280432
1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87041161
1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 87047264
2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55901382
4-chloro-3-(diethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55902520
N-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55957894
5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886
1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 86862763
5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide
CID 2953641
5-[(4-fluorophenoxy)methyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 55902012
N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 71996721

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide (CID 60534175) is 5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide is O=C(NCc1ccc(OCc2ccccn2)cc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The InChIKey is DGMNWRMZUMZVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN2O2/c21-15-6-9-19(22)18(11-15)20(25)24-12-14-4-7-17(8-5-14)26-13-16-3-1-2-10-23-16/h1-11H,12-13H2,(H,24,25).
What are the key properties of 5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide has a molecular weight of 431.72 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 60534175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).